N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indole-6-carboxamide

C21H22ClN3O — CID 31053727

IUPACN-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indole-6-carboxamide
SMILESO=C(N[C@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C21H22ClN3O/c22-18-7-3-15(4-8-18)13-25-11-1-2-19(14-25)24-21(26)17-6-5-16-9-10-23-20(16)12-17/h3-10,12,19,23H,1-2,11,13-14H2,(H,24,26)/t19-/m0/s1
InChIKeyKPXJYZXYDKYCBA-IBGZPJMESA-N
MW367.88 g/mol
LogP4.22
Rot. Bonds4

About N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indole-6-carboxamide

N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indole-6-carboxamide (PubChem CID 31053727) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indole-6-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indole-6-carboxamide
PubChem CID31053727
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC NameN-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indole-6-carboxamide
SMILESO=C(N[C@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1ccc2cc[nH]c2c1
InChIInChI=1S/C21H22ClN3O/c22-18-7-3-15(4-8-18)13-25-11-1-2-19(14-25)24-21(26)17-6-5-16-9-10-23-20(16)12-17/h3-10,12,19,23H,1-2,11,13-14H2,(H,24,26)/t19-/m0/s1
InChIKeyKPXJYZXYDKYCBA-IBGZPJMESA-N
XLogP4.22
TPSA48.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclohexyl-1H-indole-6-carboxamide
CID 39706974
N-(1-benzyl-4-methyl-1,4-diazepan-6-yl)-1H-indole-5-carboxamide
CID 10713693
N-(azetidin-3-yl)-1H-indole-6-carboxamide
CID 66186513
N-(1-ethylpiperidin-3-yl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765277
N-[(3R)-1-benzyl-5-oxopyrrolidin-3-yl]-1H-indole-6-carboxamide
CID 95327025
N-[1-[[4-(3,5-dimethylphenyl)phenyl]methyl]piperidin-3-yl]benzamide
CID 134801576
N-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2-(pyrrolidin-1-ylmethyl)-1,3-thiazole-5-carboxamide
CID 45184928
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-2,4-dimethoxybenzamide
CID 25325208
2-(4-chlorophenyl)sulfanyl-N-[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]acetamide
CID 131903383
N-[(3R,4R)-3-hydroxy-1-(pyridin-3-ylmethyl)piperidin-4-yl]-1H-indole-6-carboxamide
CID 91840322
N-(3-ethylcyclohexyl)-1H-indole-6-carboxamide
CID 64743570
1-[(4-chlorophenyl)methyl]-N-cyclopentylindazole-6-carboxamide
CID 53034337

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indole-6-carboxamide?
The IUPAC name of N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indole-6-carboxamide (CID 31053727) is N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indole-6-carboxamide.
What is the SMILES notation for N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indole-6-carboxamide?
The canonical SMILES for N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indole-6-carboxamide is O=C(N[C@H]1CCCN(Cc2ccc(Cl)cc2)C1)c1ccc2cc[nH]c2c1.
What is the InChIKey of N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indole-6-carboxamide?
The InChIKey is KPXJYZXYDKYCBA-IBGZPJMESA-N. The full InChI is InChI=1S/C21H22ClN3O/c22-18-7-3-15(4-8-18)13-25-11-1-2-19(14-25)24-21(26)17-6-5-16-9-10-23-20(16)12-17/h3-10,12,19,23H,1-2,11,13-14H2,(H,24,26)/t19-/m0/s1.
What are the key properties of N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indole-6-carboxamide?
N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indole-6-carboxamide has a molecular weight of 367.88 g/mol, XLogP of 4.22, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(4-chlorophenyl)methyl]piperidin-3-yl]-1H-indole-6-carboxamide is sourced from PubChem (CID 31053727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).